MMsINC Database Search


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MMsINC code: MMs02814926

Type: Neutral
Formula: C₂₄H₂₀N₂

SMILES:

n1cc2c(cc1)c(c1n(c3c(c1c2C)cccc3)Cc1ccccc1)C

InChI:

InChI=1/C24H20N2/c1-16-21-14-25-13-12-19(21)17(2)24-23(16)20-10-6-7-11-22(20)26(24)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.269 kcal/mol

Physical Properties
Molecular Weight: 336.438 g/mol	logS: -6.4375	SlogP: 6.27424	Reactive groups: 0

Topological Properties
Globularity: 0.118774	Sterimol/B1: 2.57109	Sterimol/B2: 2.79345	Sterimol/B3: 5.12734
Sterimol/B4: 9.35477	Sterimol/L: 13.819

Surface and Volume Properties
Accessible surface: 553.292	Positive charged surface: 310.577	Negative charged surface: 223.161	Volume: 341.75
Hydrophobic surface: 528.459	Hydrophilic surface: 24.833

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.